Molecule

ID:95163

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀FNO₂
Molecular Mass
207.2010032
Exact Mass
207.06955679
Charge
0
InChI
InChI=1S/C11H10FNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
InChIKey
KOLXHQLPMICACW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c([nH]1)cc(cc2)F
Isomeric Smiles
[nH]1c2c(ccc(c2)F)cc1C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.854974
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4949942
LogD (pH = 7.4)
2.494862
Log P
2.4949958
Molar Refractivity
54.0123
Polarizability
21.457878
Polar Surface Area
42.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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